Model name: model_name=EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pd Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.9211411714553863 cohesive_energy=5.194900238246923 mass=106.42 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.81082518926802e-19, 2.81601769545108e-19, 3.2181480088187396e-19, 3.22965163705086e-19, 3.0865131765693e-19, 3.07310295814272e-19, 3.3220491635336394e-19, 3.7832517293968797e-19, 4.28023089949734e-19, 4.7369153272527e-19, 5.15013270292764e-19, 5.52859886741112e-19, 5.886941693371559e-19, 6.246181738247039e-19, 6.61788671733504e-19, 6.991033655393639e-19, 7.338850180868699e-19, 7.637527948978979e-19, 7.87652463747276e-19, 8.0564650952373e-19, 8.18340554994912e-19, 8.265068492984099e-19, 8.3091443721854395e-19, 8.322490503546659e-19, 8.30954491634394e-19, 8.270067284082179e-19, 8.2018626247728e-19, 8.100236560878179e-19, 7.95788316694728e-19, 7.765894340895059e-19, 7.51515369767406e-19, 7.20011770613064e-19, 6.82333382711286e-19, 6.395232230508059e-19, 5.92049127208752e-19, 5.37078446896212e-19, 4.67382161140578e-19, 3.7416432022119e-19, 2.50072535564622e-19, 8.855662843809179e-20, -1.19340529848441e-19, -3.8748001022636397e-19, -7.33490882634906e-19, -1.1797098926169779e-18, -1.5537123929981339e-18, -1.350900863783244e-18, 2.07239945431266e-19, 4.31142527856132e-18, 1.280776796866332e-17, 2.8640028856393796e-17, 5.656003953346799e-17, 1.047213089338446e-16, 1.87760681915094e-16] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -0.004121033 eV ======================================== theta = 0.0 ======================================== Energy: 0.02085525723866486